5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

InChI

InChI=1S/C21H22BrN3O3S/c1-3-28-18-10-9-14(22)11-15(18)20(27)25-21(29)24-17-6-4-5-16(12(17)2)23-19(26)13-7-8-13/h4-6,9-11,13H,3,7-8H2,1-2H3,(H,23,26)(H2,24,25,27,29)